Vitas-M small molecule compound
2-{[5-(3,4-difluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
Catalog ID
STK985856
SMILES COc1cc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2c2ccc(c(c2)F)F)cc(c1)OC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H17F2N5O4S MW 473.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F2N5O4S/c1-31-13-5-11(6-14(8-13)32-2)25-18(29)10-33-21-26-19-15(9-24-27-19)20(30)28(21)12-3-4-16(22)17(23)7-12/h3-9H,10H2,1-2H3,(H,24,27)(H,25,29)InChIKey
WOZSNZJMAWCAJE-UHFFFAOYSA-NSynonyms
2((5(34difluorophenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(35dimethoxyphenyl)acetamide
2((5(34difluorophenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(35dimethoxyphenyl)acetamide
COC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC(=C(C=C4)F)F)OC
COc1cc(NC(=O)CSc2nc3(nH)ncc3c(=O)n2c2ccc(c(c2)F)F)cc(c1)OC
InChI=1SC21H17F2N5O4Sc13113511(614(813)322)2518(29)103321261915(9242719)20(30)28(21)123416(22)17(23)712h39H10H212H3(H2427)(H2529)
MFCD18182793
ZINC000051316778
ZINC51316778
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